el1:  Mg
struct:  hcp
lp:  3.2027793
catoi:  0.991824332358
ecoh:  1.51011430257
surf:  0001
size:  (1.0, 1.0, 7.0)
vacuum:  4.0
orig
n1: 7
ene1: -9.7060566
ene1pa: -1.38657951429
esub: -1.51011430257
sarea1:  8.88351126856
esurff1:  779.799620424  mJ/m^2
relaxed
ene2m: -9.7798257
ene2mpa: -1.39711795714
sarea2:  8.88351126856
esurff2m:  713.276871213  mJ/m^2
